SCHEMBL27861147

SCHEMBL27861147

CNc1ccc(-c2ccnc(C)c2)nc1

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
WNT3A P56704 17/20 0.52
PSEN1 P49768 1/20 0.50
PSEN2 P49810 1/20 0.50
APH1B Q8WW43 1/20 0.50
NCSTN Q92542 1/20 0.50
APH1A Q96BI3 1/20 0.50
PSENEN Q9NZ42 1/20 0.50
MAP4K4 O95819 1/20 0.41

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
SCHEMBL14355084 0.79 CYP11B1 (0.45) WNT3A
SCHEMBL3423338 0.79 CCR1 (0.56) WNT3APSEN1PSEN2APH1BNCSTN
SCHEMBL27861151 0.79 DYRK1A (0.58) WNT3APSEN1PSEN2APH1BNCSTN
SCHEMBL1492636 0.76 MAP4K4 (0.50) WNT3APSEN1PSEN2APH1BNCSTN
SCHEMBL18015428 0.76 MAP4K4 (0.43) WNT3APSEN1PSEN2APH1BNCSTN
SCHEMBL22886741 0.76 DYRK1A (0.44) WNT3APSEN1PSEN2APH1BNCSTN
SCHEMBL28719887 0.75 WNT3A (0.46) WNT3A
SCHEMBL3152503 0.75 CCR1 (0.46)
SCHEMBL6673320 0.75 AURKA (0.55)
SCHEMBL10033044 0.73 WNT3A (0.45) WNT3AMAP4K4

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
CN-104379583-B Compounds and compositions as WNT signaling inhibitors and uses thereof 广州源生医药科技有限公司 2016-06-08 CN disclosed
CN-102558173-A Compound for inhibiting WNT signal transduction, composition and application thereof GUANGZHOU YUANSHENG PHARMACEUTICAL SCIENCES & TECHNOLOGY CO LTD 2012-07-11 CN disclosed