SCHEMBL24670947

SCHEMBL24670947

O=C(Nc1ccc(N2CCNCC2)cn1)c1ccc(C2=CCNCC2)c(F)c1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 5/20 0.45
CDK9 P50750 5/20 0.45
F10 P00742 6/20 0.42
HDAC3 O15379 3/20 0.42
CDK4 P11802 6/20 0.41
CCND1 P24385 6/20 0.41
CDK6 Q00534 5/20 0.41
CCNA2 P20248 4/20 0.41
CDK2 P24941 4/20 0.41
CCND3 P30281 4/20 0.41
CDK7 P50613 3/20 0.41
CCNH P51946 3/20 0.41
MNAT1 P51948 3/20 0.41
KCNH2 Q12809 1/20 0.40
HDAC2 Q92769 1/20 0.40
FLT3 P36888 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
SCHEMBL29803783 1.00 CCNT1 (0.45) CCNT1CDK9F10HDAC3CDK4
SCHEMBL24671474 0.86 WNT3A (0.45) CCNT1CDK9FLT3
SCHEMBL29803282 0.85 CCNT1 (0.49) CCNT1CDK9CDK4CDK6
SCHEMBL29803411 0.81 CCNT1 (0.49) CCNT1CDK9
SCHEMBL29803516 0.79 CCNT1 (0.48) CCNT1CDK9
SCHEMBL24670910 0.79 MAPKAPK2 (0.47) CCNT1CDK9
SCHEMBL24671479 0.79 CCNT1 (0.50) CCNT1CDK9
SCHEMBL29803242 0.79 MAPKAPK2 (0.47) CCNT1CDK9
SCHEMBL29803778 0.79 CCNT1 (0.50) CCNT1CDK9
SCHEMBL29803687 0.79 MAPKAPK2 (0.47) CCNT1CDK9

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-2022192162-A1 NOVEL HETEROAROMATIC COMPOUNDS EXHIBITING ANTIFUNGAL ACTIVITY AND THEIR METHOD OF USE FOX CHASE CHEMICAL DIVERSITY CENTER, INC. (US) 2022-09-15 WO disclosed