SCHEMBL29650643

SCHEMBL29650643

Nc1nc(-c2cccnc2)nc2cnccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.49
KDM4C Q9H3R0 1/20 0.49
ADORA2A P29274 1/20 0.48
ADORA1 P30542 1/20 0.48
CYP1A2 P05177 5/20 0.48
CYP3A4 P08684 5/20 0.48
CLK4 Q9HAZ1 4/20 0.48
ALDH1A1 P00352 4/20 0.48
TSHR P16473 3/20 0.48
CYP2D6 P10635 3/20 0.48
CYP2C9 P11712 2/20 0.48
HSD17B10 Q99714 2/20 0.48
CYP2C19 P33261 1/20 0.48
MEN1 O00255 1/20 0.48
GLA P06280 1/20 0.48
KMT2A Q03164 1/20 0.48
LMNA P02545 4/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
ALOX15 P16050 2/20 0.47
KDM4E B2RXH2 2/20 0.47

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
SCHEMBL30843879 0.87 CYP1A2 (0.62) MAPTCYP1A2CYP3A4CLK4ALDH1A1
SCHEMBL13272569 0.87 CYP1A2 (0.62) MAPTCYP1A2CYP3A4CLK4ALDH1A1
SCHEMBL30804557 0.87 CYP1A2 (0.62) MAPTCYP1A2CYP3A4CLK4ALDH1A1
Hydrochloric Acid SCHEMBL11861199 0.86 CYP1A2 (0.61) MAPTCYP1A2CYP3A4CLK4ALDH1A1
SCHEMBL21875480 0.85 LATS1 (0.61) LATS1LATS2
SCHEMBL6090261 0.81 ADORA2A (0.44) MAPTADORA2AADORA1CYP1A2CYP3A4
SCHEMBL14727632 0.81 CYP1A2 (0.50) MAPTADORA2AADORA1CYP1A2CYP3A4
SCHEMBL29859473 0.79 SMN1; SMN2 (0.57) MAPTADORA2AADORA1CYP1A2CYP3A4
SCHEMBL2154726 0.78 KMT2A (0.55) MAPTADORA2AADORA1CYP1A2CYP3A4
SCHEMBL20273560 0.78 ADORA2A (0.49) MAPTADORA2AADORA1CYP1A2CYP3A4

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
CN-114703144-A 6-6 fused bicyclic heteroaryl compounds and their use as LATS inhibitors 诺华股份有限公司 2022-07-05 CN disclosed
CN-114621222-A 6-6 fused bicyclic heteroaryl compounds and their use as LATS inhibitors 诺华股份有限公司 2022-06-14 CN disclosed