SCHEMBL18800729

SCHEMBL18800729

N=C(N)c1c(-c2ccc(Oc3ccccc3)cc2)cnc(-c2ccccn2)c1N

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 14/20 0.51
▸ CHEK2 O96017 1/20 0.37
▸ NPC1 O15118 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ TGFBR1 P36897 1/20 0.35
▸ TGFBR2 P37173 1/20 0.35
▸ CES1 P23141 1/20 0.35

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
SCHEMBL18800640 0.89 BTK (0.43) BTKNPC1RAB9A
SCHEMBL18800753 0.88 BTK (0.49) BTK
SCHEMBL18800492 0.87 BTK (0.48) BTK
SCHEMBL18800411 0.86 BTK (0.56) BTKNPC1RAB9A
SCHEMBL18800616 0.86 BTK (0.47) BTK
SCHEMBL18800564 0.85 BTK (0.47) BTKNPC1RAB9A
SCHEMBL18800747 0.83 KMT2A (0.46) BTKNPC1RAB9A
SCHEMBL18800770 0.82 BTK (0.57) BTK
SCHEMBL18800597 0.81 BTK (0.40) BTKNPC1RAB9A
SCHEMBL18800651 0.81 BTK (0.43) BTK

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2789615-B1 Azaindazoles as Btk kinase modulators and use thereof BRISTOL MYERS SQUIBB CO (US) 2017-05-03 — — EP disclosed
Send feedback