SCHEMBL19660423

SCHEMBL19660423

COc1ccc(C)c2cnccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.46
CHUK O15111 2/20 0.43
PRKD3 O94806 1/20 0.43
PRKCG P05129 1/20 0.43
PRKCB P05771 1/20 0.43
PRKCA P17252 1/20 0.43
CSNK2A2 P19784 1/20 0.43
PRKCH P24723 1/20 0.43
PRKCI P41743 1/20 0.43
CSNK2B P67870 1/20 0.43
CSNK2A1 P68400 1/20 0.43
PRKCE Q02156 1/20 0.43
PRKCQ Q04759 1/20 0.43
PRKCZ Q05513 1/20 0.43
PRKCD Q05655 1/20 0.43
PRKD1 Q15139 1/20 0.43
MAPT P10636 3/20 0.41
LMNA P02545 2/20 0.41
NPC1 O15118 1/20 0.41
CA12 O43570 1/20 0.40

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
SCHEMBL12426316 0.88 MAOA (0.52) MAOACHUKPRKD3PRKCGPRKCB
SCHEMBL812489 0.81 CYP1A2 (0.46) MAOACHUKMAPTLMNANPC1
SCHEMBL5449879 0.79 AXL (0.50) MAOACHUKPRKD3PRKCGPRKCB
SCHEMBL13686669 0.78 MAOA (0.47) MAOACHUKPRKD3PRKCGPRKCB
SCHEMBL5450851 0.78 TNF (0.50) MAOAMAPTLMNANPC1CYP19A1
SCHEMBL23762033 0.77 MAOA (0.42) MAOACHUKPRKD3PRKCGPRKCB
SCHEMBL21237179 0.77 MAOA (0.42) MAOACHUKPRKD3PRKCGPRKCB
SCHEMBL31483347 0.76 AXL (0.55) MAOACHUKPRKD3PRKCGPRKCB
SCHEMBL5661372 0.76 IDO1 (0.58) MAOACHUKPRKD3PRKCGPRKCB
SCHEMBL30863530 0.76 IDO1 (0.58) MAOACHUKPRKD3PRKCGPRKCB

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-3464286-B1 PYRAZOLOPYRIDINE DERIVATIVES FOR THE TREATMENT OF CANCER GENENTECH INC (US) 2021-08-18 EP disclosed
WO-2017205538-A1 PYRAZOLOPYRIDINE DERIVATIVES FOR THE TREATMENT OF CANCER GENENTECH, INC. (US) 2017-11-30 WO disclosed