SCHEMBL30498705

SCHEMBL30498705

Oc1ccccc1-c1cc(-c2ccc(N3CCNCC3)cc2)cnn1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMARCA2 P51531 1/20 0.53
SMARCA4 P51532 1/20 0.53
PBRM1 Q86U86 1/20 0.53
ACVR1 Q04771 8/20 0.47
FYN P06241 1/20 0.46
BMPR1B O00238 1/20 0.44
ACVRL1 P37023 1/20 0.44
TGFBR1 P36897 8/20 0.44
KDM4E B2RXH2 1/20 0.43
RPS6KA3 P51812 1/20 0.43
KDR P35968 1/20 0.43
PRKAB1 Q9Y478 1/20 0.43
FGFR1 P11362 1/20 0.42
FGFR2 P21802 1/20 0.42
ACVR1B P36896 1/20 0.42
HSP90AA1 P07900 1/20 0.42
HSP90AB1 P08238 1/20 0.42
PIM1 P11309 1/20 0.42
PIM3 Q86V86 1/20 0.42
PIM2 Q9P1W9 1/20 0.42

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
SCHEMBL25229903 1.00 SMARCA2 (0.53) SMARCA2SMARCA4PBRM1ACVR1FYN
SCHEMBL30741489 0.88 SMARCA2 (0.51) SMARCA2SMARCA4PBRM1KDM4E
SCHEMBL30741495 0.87 GABRG2 (0.51) ACVR1BMPR1BACVRL1TGFBR1RPS6KA3
SCHEMBL23630352 0.86 SMARCA2 (0.59) SMARCA2SMARCA4PBRM1KDM4EHSP90AA1
SCHEMBL30498694 0.83 MAP4K1 (0.41) SMARCA2SMARCA4PBRM1ACVR1FYN
SCHEMBL22791765 0.82 HDAC1 (0.47) SMARCA2SMARCA4PBRM1HSP90AA1CCNC
SCHEMBL30741492 0.81 ACVR1 (0.46) ACVR1BMPR1BACVRL1TGFBR1ACVR1B
SCHEMBL30741493 0.81 ACVR1 (0.46) ACVR1BMPR1BACVRL1TGFBR1KDR
SCHEMBL25348542 0.81 SMARCA2 (0.70) SMARCA2SMARCA4PBRM1ACVR1FYN
SCHEMBL28469016 0.80 ADRB1 (0.56) SMARCA2SMARCA4PBRM1ACVR1TGFBR1

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
CN-116529250-A 6-substituted pyridazine compounds as SMARCA2 and/or SMARCA4 degrading agents 奥里吉恩肿瘤学有限公司 2023-08-01 CN disclosed