SCHEMBL7855765

SCHEMBL7855765

CCC(NC(C)(Nc1ncnc2[nH]ccc12)C(CC)c1ccc(Cl)cc1)c1ccc(Cl)cc1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TTBK1 Q5TCY1 7/20 0.47
TTBK2 Q6IQ55 6/20 0.47
AKT1 P31749 5/20 0.44
AKT2 P31751 2/20 0.44
ROCK2 O75116 1/20 0.44
KCNH2 Q12809 1/20 0.44
AKT3 Q9Y243 1/20 0.44
GSK3B P49841 1/20 0.39
RET P07949 1/20 0.39
GRIN2B Q13224 1/20 0.39

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
SCHEMBL7589835 0.72 TTBK1 (0.57) TTBK1TTBK2AKT1AKT2ROCK2
SCHEMBL7855768 0.71 TTBK1 (0.43) TTBK1TTBK2AKT1AKT2ROCK2
SCHEMBL7855770 0.70 TTBK1 (0.43) TTBK1TTBK2AKT1AKT2ROCK2
SCHEMBL7589837 0.66 TTBK1 (0.48) TTBK1TTBK2AKT1AKT2ROCK2
SCHEMBL24881245 0.64 TTBK1 (1.00) TTBK1TTBK2
SCHEMBL29748913 0.64 TTBK1 (0.49) TTBK1TTBK2RET
SCHEMBL7087720 0.64 TTBK1 (0.55) TTBK1TTBK2
SCHEMBL11105507 0.63 AKT1 (0.44) AKT1
SCHEMBL1899427 0.62 TTBK1 (1.00) TTBK1TTBK2
SCHEMBL3534019 0.62 TTBK1 (0.49) TTBK1TTBK2

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-1087970-A1 PYRROLO 2,3-d]PYRIMIDINE COMPOUNDS Pfizer Products Inc. (US) 2001-04-04 EP disclosed
WO-1999065908-A1 PYRROLO[2,3-d]PYRIMIDINE COMPOUNDS PFIZER PRODUCTS INC. (US) 1999-12-23 WO disclosed