SCHEMBL1979788

SCHEMBL1979788

CCN(CC)CCn1cc(-c2ccc3[nH]c4cnc(-c5cnn(C)c5)cc4c3c2)cn1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.47
ACHE P22303 1/20 0.47
PIM1 P11309 14/20 0.45
PIM3 Q86V86 1/20 0.41
PIM2 Q9P1W9 1/20 0.41
MAPT P10636 1/20 0.41
LOXL2 Q9Y4K0 1/20 0.40
ACVR1 Q04771 1/20 0.40
LRRK2 Q5S007 1/20 0.39
WNT1 P04628 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
SCHEMBL2214724 0.88 CHEK1 (0.57) CHEK1ACHEPIM1MAPT
SCHEMBL1979638 0.88 PIM1 (0.44) CHEK1ACHEPIM1PIM3PIM2
SCHEMBL2215993 0.77 CHEK1 (0.53) CHEK1ACHEPIM1PIM3PIM2
SCHEMBL1979380 0.74 PIM1 (0.58) CHEK1ACHEPIM1PIM3PIM2
SCHEMBL2216558 0.74 CHEK1 (0.54) CHEK1ACHEPIM1PIM3PIM2
SCHEMBL1559867 0.72 CHEK1 (0.51) CHEK1ACHEPIM1PIM3PIM2
SCHEMBL1978967 0.72 PIM1 (0.61) CHEK1ACHEPIM1PIM3PIM2
SCHEMBL1559826 0.71 PIM1 (0.43) CHEK1ACHEPIM1MAPT
SCHEMBL12666733 0.71 CHEK1 (0.69) CHEK1ACHEPIM1PIM3PIM2
SCHEMBL1979641 0.70 CHEK1 (0.63) CHEK1ACHE

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011070298-A1 DI-SUBSTITUTED 9H-PYRIDO[3,4-B]INDOLE DERIVATIVES, PREPARATION OF SAME AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2011-06-16 WO claimed
WO-2011070298-A1 DI-SUBSTITUTED 9H-PYRIDO[3,4-B]INDOLE DERIVATIVES, PREPARATION OF SAME AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2011-06-16 WO disclosed
WO-2011070298-A1 DI-SUBSTITUTED 9H-PYRIDO[3,4-B]INDOLE DERIVATIVES, PREPARATION OF SAME AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2011-06-16 WO disclosed