SCHEMBL31620756

SCHEMBL31620756

Cc1ccc(C(=O)Nc2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)c(C#Cc2cnc3[nH]ccc3c2)c1

nearest known ligand 0.78

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 12/20 0.78
▸ FGFR1 P11362 1/20 0.65
▸ CYP2C9 P11712 1/20 0.65
▸ PDGFRA P16234 1/20 0.65
▸ CYP2C19 P33261 1/20 0.65
▸ FLT3 P36888 1/20 0.65
▸ LRRK2 Q5S007 1/20 0.65
▸ HDAC6 Q9UBN7 1/20 0.65
▸ EGFR P00533 4/20 0.63
▸ BRAF P15056 4/20 0.63
▸ KIT P10721 3/20 0.63
▸ RET P07949 1/20 0.62

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
SCHEMBL31620840 0.85 KIT (0.76) ABL1FGFR1CYP2C9PDGFRACYP2C19
SCHEMBL18762337 0.81 KIT (0.75) ABL1FGFR1CYP2C9PDGFRACYP2C19
SCHEMBL13765893 0.81 ABL1 (0.87) ABL1FGFR1CYP2C9PDGFRACYP2C19
SCHEMBL28021485 0.80 KIT (0.72) ABL1FGFR1EGFRBRAFKIT
SCHEMBL29758813 0.80 ABL1 (0.78) ABL1FGFR1PDGFRAFLT3LRRK2
Olverembatinib SCHEMBL29387193 0.79 ABL1 (1.00) ABL1FGFR1CYP2C9PDGFRACYP2C19
Olverembatinib SCHEMBL3424528 0.79 ABL1 (1.00) ABL1FGFR1CYP2C9PDGFRACYP2C19
Olverembatinib SCHEMBL29514988 0.79 ABL1 (1.00) ABL1FGFR1CYP2C9PDGFRACYP2C19
Olverembatinib SCHEMBL14953130 0.78 ABL1 (0.99) ABL1FGFR1CYP2C9PDGFRACYP2C19
Olverembatinib SCHEMBL30456095 0.78 ABL1 (0.99) ABL1FGFR1CYP2C9PDGFRACYP2C19

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-120136781-A ROR 1-targeted inhibitor and synthesis method and application thereof 北京大学 2025-06-13 — — CN claimed
CN-120136781-A ROR 1-targeted inhibitor and synthesis method and application thereof 北京大学 2025-06-13 — — CN disclosed
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