SCHEMBL22737642

SCHEMBL22737642

O=C1CCC(N2C(=O)c3ccc(N4CC(N5CC(N6CCC[C@H](F)C6)C5)C4)cc3C2=O)C(=O)N1

nearest known ligand 0.67

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CRBN Q96SW2 16/20 0.67
▸ DDB1 Q16531 9/20 0.53
▸ BTK Q06187 1/20 0.49
▸ ALDH1A1 P00352 1/20 0.49
▸ CHRM2 P08172 1/20 0.49
▸ OPRM1 P35372 1/20 0.49
▸ IKZF3 Q9UKT9 1/20 0.49
▸ CYP1A2 P05177 1/20 0.49
▸ TSHR P16473 1/20 0.49
▸ TDP1 Q9NUW8 1/20 0.49
▸ IKZF1 Q13422 1/20 0.45
▸ IKZF2 Q9UKS7 1/20 0.45
▸ AR P10275 1/20 0.44

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
SCHEMBL22737760 1.00 CRBN (0.67) CRBNDDB1BTKALDH1A1CHRM2
SCHEMBL22737357 0.98 CRBN (0.70) CRBNDDB1BTKALDH1A1CHRM2
SCHEMBL22737359 0.98 CRBN (0.70) CRBNDDB1BTKALDH1A1CHRM2
SCHEMBL22738044 0.94 CRBN (0.65) CRBNDDB1BTKALDH1A1CHRM2
SCHEMBL22738043 0.94 CRBN (0.65) CRBNDDB1BTKALDH1A1CHRM2
SCHEMBL22737960 0.90 CRBN (0.72) CRBNDDB1BTKALDH1A1CHRM2
SCHEMBL25949579 0.89 CRBN (0.61) CRBNDDB1BTKALDH1A1CHRM2
SCHEMBL25939463 0.88 CRBN (0.76) CRBNDDB1BTKALDH1A1CHRM2
SCHEMBL24827976 0.86 CRBN (0.72) CRBNDDB1BTKALDH1A1CHRM2
SCHEMBL22737594 0.85 CRBN (0.71) CRBNDDB1BTKALDH1A1CHRM2

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
WO-2022007824-A1 COMPOUND HAVING BTK KINASE DEGRADING ACTIVITY, AND PREPARATION METHOD AND PHARMACEUTICAL USE THEREFOR 四川海思科制药有限公司 2022-01-13 — — WO disclosed
WO-2020239103-A1 BTK INHIBITOR RING DERIVATIVE, PREPARATION METHOD THEREFOR AND PHARMACEUTICAL APPLICATION THEREOF 四川海思科制药有限公司 2020-12-03 — — WO disclosed
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