SCHEMBL8154028

SCHEMBL8154028

c1cnc2ccc(Nc3nccc(-c4ccc(N5CCNCC5)nc4)n3)cc2c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ZAP70 P43403 11/20 0.62
PRKD3 O94806 2/20 0.62
PRKCG P05129 2/20 0.62
PRKCB P05771 2/20 0.62
LCK P06239 2/20 0.62
PRKCA P17252 2/20 0.62
PRKCH P24723 2/20 0.62
PRKCI P41743 2/20 0.62
PRKCE Q02156 2/20 0.62
PRKCQ Q04759 2/20 0.62
PRKCZ Q05513 2/20 0.62
PRKCD Q05655 2/20 0.62
PRKD1 Q15139 2/20 0.62
EGFR P00533 1/20 0.62
MYLK4 Q86YV6 3/20 0.61
STK17A Q9UEE5 3/20 0.61
CLK4 Q9HAZ1 1/20 0.61
TBK1 Q9UHD2 1/20 0.61
ACVR1 Q04771 2/20 0.51
CAMK2D Q13557 1/20 0.49

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8154797 0.88 ZAP70 (0.53) ZAP70PRKD3PRKCGPRKCBLCK
SCHEMBL6952360 0.84 ZAP70 (0.68) ZAP70PRKD3PRKCGPRKCBLCK
SCHEMBL6957800 0.83 ZAP70 (0.66) ZAP70PRKD3PRKCGPRKCBLCK
SCHEMBL6956423 0.83 ZAP70 (0.68) ZAP70PRKD3PRKCGPRKCBLCK
SCHEMBL609202 0.83 IKBKB (0.69) ZAP70PRKD3PRKCGPRKCBLCK
SCHEMBL8146562 0.83 ZAP70 (0.62) ZAP70PRKD3PRKCGPRKCBLCK
SCHEMBL8152774 0.83 ZAP70 (0.62) ZAP70PRKD3PRKCGPRKCBLCK
SCHEMBL6952728 0.82 ZAP70 (0.65) ZAP70PRKD3PRKCGPRKCBLCK
SCHEMBL6947468 0.82 CAMK2D (0.72) ZAP70PRKD3PRKCGPRKCBLCK
SCHEMBL6955195 0.82 ZAP70 (0.67) ZAP70PRKD3PRKCGPRKCBLCK

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6093716-A Substituted 2-pyrimidineamines and processes for their preparation CELLTECH THERAPEUTICS, LIMITED (GB) 2000-07-25 US claimed
EP-0929549-A1 SUBSTITUTED 2-PYRIMIDINEAMINES, THEIR PREPARATION AND THEIR USE AS PROTEINE KINASE INHIBITORS CELLTECH THERAPEUTICS LIMITED (GB) 1999-07-21 EP claimed
WO-1998011095-A1 SUBSTITUTED 2-PYRIMIDINEAMINES, THEIR PREPARATION AND THEIR USE AS PROTEINE KINASE INHIBITORS CELLTECH THERAPEUTICS LIMITED (GB) 1998-03-19 WO claimed
US-6093716-A Substituted 2-pyrimidineamines and processes for their preparation CELLTECH THERAPEUTICS, LIMITED (GB) 2000-07-25 US disclosed
EP-0929549-A1 SUBSTITUTED 2-PYRIMIDINEAMINES, THEIR PREPARATION AND THEIR USE AS PROTEINE KINASE INHIBITORS CELLTECH THERAPEUTICS LIMITED (GB) 1999-07-21 EP disclosed
WO-1998011095-A1 SUBSTITUTED 2-PYRIMIDINEAMINES, THEIR PREPARATION AND THEIR USE AS PROTEINE KINASE INHIBITORS CELLTECH THERAPEUTICS LIMITED (GB) 1998-03-19 WO disclosed