SCHEMBL21170135

SCHEMBL21170135

CC(CNc1ccc(-c2ccc3[nH]nc(CO)c3c2)nn1)c1ccc(F)cc1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 12/20 0.38
▸ PSEN1 P49768 5/20 0.37
▸ PSEN2 P49810 5/20 0.37
▸ APH1B Q8WW43 5/20 0.37
▸ NCSTN Q92542 5/20 0.37
▸ APH1A Q96BI3 5/20 0.37
▸ PSENEN Q9NZ42 5/20 0.37
▸ CCNT1 O60563 2/20 0.36
▸ CDK9 P50750 2/20 0.36
▸ CDK2 P24941 1/20 0.36
▸ NPC1 O15118 1/20 0.35
▸ RAB9A P51151 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
SCHEMBL21170454 0.86 CCNT1 (0.36) MAPK1PSEN1PSEN2APH1BNCSTN
SCHEMBL21170338 0.86 PSEN1 (0.39) MAPK1PSEN1PSEN2APH1BNCSTN
SCHEMBL21170049 0.85 DYRK1A (0.38) MAPK1PSEN1PSEN2APH1BNCSTN
SCHEMBL21170243 0.85 MAPK1 (0.41) MAPK1PSEN1PSEN2APH1BNCSTN
SCHEMBL21170453 0.84 NTRK1 (0.44) MAPK1
SCHEMBL21170346 0.84 MAPK1 (0.48) MAPK1CDK9CDK2
SCHEMBL21170458 0.84 MAPK1 (0.43) MAPK1CDK9CDK2RAB9A
SCHEMBL21170342 0.82 MAP2K4 (0.39) MAPK1CDK2
SCHEMBL21170450 0.82 CDC7 (0.38) MAPK1PSEN1PSEN2APH1BNCSTN
SCHEMBL12289971 0.81 PSEN1 (0.37) MAPK1PSEN1PSEN2APH1BNCSTN

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-3127541-B1 CERTAIN AMINO-PYRIDAZINES, COMPOSITIONS THEREOF, AND METHODS OF THEIR USE CYTOKINETICS INC (US) 2019-07-17 — — EP disclosed
Send feedback