SCHEMBL8303091

SCHEMBL8303091

COc1ccc(CNc2nccc(-c3ccc(N4CCNCC4)nc3)n2)cc1OC.COc1ccc(N)cc1OC

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ZAP70 P43403 11/20 0.60
PRKD3 O94806 2/20 0.60
PRKCG P05129 2/20 0.60
PRKCB P05771 2/20 0.60
LCK P06239 2/20 0.60
PRKCA P17252 2/20 0.60
PRKCH P24723 2/20 0.60
PRKCI P41743 2/20 0.60
PRKCE Q02156 2/20 0.60
PRKCQ Q04759 2/20 0.60
PRKCZ Q05513 2/20 0.60
PRKCD Q05655 2/20 0.60
PRKD1 Q15139 2/20 0.60
EGFR P00533 1/20 0.60
DYRK1A Q13627 1/20 0.51
CLK4 Q9HAZ1 1/20 0.51
HDAC1 Q13547 3/20 0.47
IL2 P60568 1/20 0.47
MAP4K1 Q92918 1/20 0.47
PDE5A O76074 1/20 0.43

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
SCHEMBL6948987 0.95 ZAP70 (0.66) ZAP70PRKD3PRKCGPRKCBLCK
SCHEMBL6957167 0.81 ZAP70 (0.82) ZAP70PRKD3PRKCGPRKCBLCK
SCHEMBL2179548 0.76 DYRK1A (0.49) ZAP70PRKD3PRKCGPRKCBLCK
SCHEMBL5619205 0.75 ZAP70 (1.00) ZAP70PRKD3PRKCGPRKCBLCK
SCHEMBL6953476 0.74 ZAP70 (0.72) ZAP70PRKD3PRKCGPRKCBLCK
SCHEMBL6950873 0.73 ZAP70 (0.79) ZAP70PRKD3PRKCGPRKCBLCK
SCHEMBL6949520 0.72 ZAP70 (1.00) ZAP70PRKD3PRKCGPRKCBLCK
SCHEMBL5089234 0.72 DYRK1A (0.64) DYRK1ACLK4HDAC1
SCHEMBL7081451 0.72 ZAP70 (0.74) ZAP70PRKD3PRKCGPRKCBLCK
SCHEMBL6957436 0.72 ZAP70 (0.66) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0934304-A1 2-PYRIMIDINEAMINE DERIVATIVES AND PROCESSES FOR THEIR PREPARATION CELLTECH THERAPEUTICS LIMITED (GB) 1999-08-11 EP disclosed
WO-1998018782-A1 2-PYRIMIDINEAMINE DERIVATIVES AND PROCESSES FOR THEIR PREPARATION CELLTECH THERAPEUTICS LIMITED (GB) 1998-05-07 WO disclosed