SCHEMBL20193181

SCHEMBL20193181

CS(C)(C)CCOCn1cc(-c2cn(Cc3ccccc3)c3cnc(Br)cc23)cn1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHUK O15111 1/20 0.40
CREBBP Q92793 11/20 0.39
KCNH2 Q12809 1/20 0.39
DYRK1A Q13627 1/20 0.39
DYRK1B Q9Y463 2/20 0.38
ALK Q9UM73 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
SIRT2 Q8IXJ6 1/20 0.34
F2RL3 Q96RI0 1/20 0.34
CDK2 P24941 1/20 0.34
MKNK1 Q9BUB5 1/20 0.34
MKNK2 Q9HBH9 1/20 0.34

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
SCHEMBL16608553 0.88 CHUK (0.40) CHUKCREBBPKCNH2DYRK1ADYRK1B
SCHEMBL19114174 0.88 CHUK (0.40) CHUKCREBBPKCNH2DYRK1ADYRK1B
SCHEMBL19114543 0.87 CHUK (0.35) CHUKCREBBP
SCHEMBL20193251 0.86 CREBBP (0.33) CREBBPDYRK1BALK
SCHEMBL20193155 0.85 CHUK (0.38) CHUKDYRK1A
SCHEMBL20193217 0.85 DYRK1A (0.40) CHUKDYRK1A
SCHEMBL19114436 0.84 CHUK (0.38) CHUKKCNH2DYRK1A
SCHEMBL20193179 0.84 CREBBP (0.32) CHUKCREBBPALK
SCHEMBL20193214 0.83 CHUK (0.41) CHUKDYRK1A
SCHEMBL20193244 0.83 PIK3CD (0.33) CHUK

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
US-9981963-B2 3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-c]pyridine derivatives as NIK inhibitors JANSSEN PHARMACEUTICA NV (BE) 2018-05-29 US disclosed