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SCHEMBL1979521

SCHEMBL1979521

COC(C)Oc1ccc2[nH]c3cnc(-c4cnn(C)c4)cc3c2c1

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PIM1 P11309 13/20 0.50
▸ PIM3 Q86V86 2/20 0.46
▸ PIM2 Q9P1W9 2/20 0.46
▸ MAPT P10636 4/20 0.46
▸ CHEK1 O14757 1/20 0.45
▸ ACHE P22303 1/20 0.45
▸ MAP4K1 Q92918 1/20 0.40
▸ MET P08581 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
SCHEMBL1980671 0.89 PIM1 (0.50) PIM1PIM3PIM2MAPTCHEK1
SCHEMBL1978967 0.88 PIM1 (0.61) PIM1PIM3PIM2MAPTCHEK1
SCHEMBL1980500 0.83 PIM1 (0.49) PIM1PIM3PIM2MAPTCHEK1
SCHEMBL1983392 0.81 PIM1 (0.45) PIM1PIM3PIM2MAPTCHEK1
SCHEMBL1981543 0.81 PIM1 (0.49) PIM1PIM3PIM2MAPTCHEK1
SCHEMBL1979823 0.80 PIM1 (0.48) PIM1PIM3PIM2MAPTCHEK1
SCHEMBL1979380 0.79 PIM1 (0.58) PIM1PIM3PIM2MAPTCHEK1
SCHEMBL1980494 0.77 GABRA1 (0.52) MAPTACHE
SCHEMBL1561286 0.77 CHEK1 (0.56) PIM1PIM3PIM2MAPTCHEK1
SCHEMBL1978484 0.77 CHEK1 (0.42) PIM1PIM3PIM2MAPTCHEK1

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
WO-2011070299-A1 TRI-SUBSTITUTED 9H-BETA-CARBOLINE (OR 9H-PYRIDO[3,4-B]INDOLE) DERIVATIVES, PREPARATION OF SAME AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2011-06-16 — — WO disclosed