SCHEMBL29684222

SCHEMBL29684222

C=C(C)c1cc(C)nc2c(F)cc(-c3nc(Nc4ccc(N5CCN(C(=O)OC(C)(C)C)CC5)cn4)ncc3F)cc12

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CDK6 Q00534 14/20 0.49
▸ CDK4 P11802 11/20 0.49
▸ DYRK2 Q92630 4/20 0.49
▸ CSF1R P07333 2/20 0.49
▸ PIK3CD O00329 1/20 0.49
▸ ALK Q9UM73 1/20 0.48
▸ CCND3 P30281 10/20 0.47
▸ CDK2 P24941 7/20 0.47
▸ CDK1 P06493 7/20 0.47
▸ CCNA2 P20248 7/20 0.47
▸ CCNE2 O96020 6/20 0.47
▸ CCND1 P24385 3/20 0.47
▸ CCNT1 O60563 1/20 0.47
▸ CCNE1 P24864 1/20 0.47
▸ CDK7 P50613 1/20 0.47
▸ CDK9 P50750 1/20 0.47
▸ CCNH P51946 1/20 0.47
▸ PIM1 P11309 4/20 0.46

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
SCHEMBL24482656 1.00 CDK6 (0.49) CDK6CDK4DYRK2CSF1RPIK3CD
SCHEMBL29684632 0.89 DYRK2 (0.51) CDK6CDK4DYRK2CSF1RPIK3CD
SCHEMBL29683868 0.89 DYRK2 (0.51) CDK6CDK4DYRK2CSF1RPIK3CD
SCHEMBL24482976 0.89 DYRK2 (0.51) CDK6CDK4DYRK2CSF1RPIK3CD
SCHEMBL24483445 0.89 DYRK2 (0.51) CDK6CDK4DYRK2CSF1RPIK3CD
SCHEMBL24483442 0.88 CDK6 (0.52) CDK6CDK4DYRK2CSF1RPIK3CD
SCHEMBL29684493 0.88 CDK6 (0.52) CDK6CDK4DYRK2CSF1RPIK3CD
SCHEMBL29684170 0.88 CDK6 (0.50) CDK6CDK4DYRK2CSF1RPIK3CD
SCHEMBL29684518 0.88 CDK6 (0.48) CDK6CDK4DYRK2CSF1RPIK3CD
SCHEMBL29684267 0.87 DYRK2 (0.53) CDK6CDK4DYRK2CSF1RPIK3CD

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-2022113003-A1 CDK INHIBITORS RHIZEN PHARMACEUTICALS AG (CH) 2022-06-02 — — WO claimed
WO-2022113003-A1 CDK INHIBITORS RHIZEN PHARMACEUTICALS AG (CH) 2022-06-02 — — WO disclosed
Send feedback