SCHEMBL20552624

SCHEMBL20552624

[CH2]Cn1nnc(-c2ccccc2Nc2ccc(C(F)(F)F)cc2)n1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ABCG2 Q9UNQ0 9/20 0.47
▸ TAS2R14 Q9NYV8 1/20 0.44
▸ ABCB1 P08183 2/20 0.41
▸ ATM Q13315 1/20 0.41
▸ TP53 P04637 2/20 0.40
▸ MAPT P10636 3/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ DDX3X O00571 1/20 0.39
▸ ALDH1A1 P00352 3/20 0.39
▸ LMNA P02545 1/20 0.39
▸ HDAC6 Q9UBN7 1/20 0.39
▸ KDM4E B2RXH2 2/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ HPGD P15428 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ HSD17B10 Q99714 2/20 0.38
▸ POLB P06746 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL21749269 0.89 ABCG2 (0.46) ABCG2TAS2R14ABCB1ATMTP53
SCHEMBL20552265 0.88 ABCG2 (0.45) ABCG2TAS2R14ABCB1ATMTP53
SCHEMBL20552643 0.88 ABCG2 (0.47) ABCG2TAS2R14ABCB1TP53MAPT
SCHEMBL21749276 0.87 ABCG2 (0.44) ABCG2TAS2R14ABCB1ATMTP53
SCHEMBL20552347 0.86 ABCG2 (0.46) ABCG2TAS2R14ABCB1TP53MAPT
SCHEMBL20552285 0.86 ABCG2 (0.43) ABCG2TAS2R14ABCB1ATMTP53
SCHEMBL25787252 0.86 ABCG2 (0.43) ABCG2TAS2R14ABCB1ATMTP53
SCHEMBL20552969 0.86 ABCG2 (0.43) ABCG2TAS2R14ABCB1ATMTP53
SCHEMBL25787257 0.86 DDX3X (0.55) ABCG2TAS2R14ABCB1MAPTSMN1; SMN2
SCHEMBL25787424 0.86 TP53 (0.49) ABCG2TAS2R14ABCB1ATMTP53

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-3618818-A1 NON-FUSED TRICYCLIC COMPOUNDS Vivace Therapeutics, Inc. (US) 2020-03-11 — — EP disclosed
WO-2018204532-A1 NON-FUSED TRICYCLIC COMPOUNDS VIVACE THERAPEUTICS, INC. (US) 2018-11-08 — — WO disclosed
Send feedback