SCHEMBL29684498

SCHEMBL29684498

CC(C)(C)OC(=O)N1CCN(c2ccc(Nc3ncc(F)c(-c4cc5cccnc5cc4F)n3)nc2)CC1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ DYRK2 Q92630 5/20 0.51
▸ CDK6 Q00534 11/20 0.48
▸ CCND1 P24385 7/20 0.48
▸ ALK Q9UM73 2/20 0.48
▸ PIM1 P11309 2/20 0.46
▸ CDK4 P11802 5/20 0.45
▸ CCNA2 P20248 3/20 0.45
▸ CCND3 P30281 3/20 0.45
▸ CDK1 P06493 2/20 0.45
▸ PIK3CD O00329 1/20 0.45
▸ CSF1R P07333 1/20 0.45
▸ CCNT1 O60563 1/20 0.44
▸ CDK2 P24941 1/20 0.44
▸ CDK9 P50750 1/20 0.44
▸ WNT3A P56704 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
SCHEMBL24483258 1.00 DYRK2 (0.51) DYRK2CDK6CCND1ALKPIM1
SCHEMBL24483228 0.89 DYRK2 (0.60) DYRK2CDK6CCND1ALKPIM1
SCHEMBL29684290 0.89 DYRK2 (0.60) DYRK2CDK6CCND1ALKPIM1
SCHEMBL29684007 0.85 DYRK2 (0.53) DYRK2CDK6CCND1ALKPIM1
SCHEMBL24482655 0.85 DYRK2 (0.53) DYRK2CDK6CCND1ALKPIM1
SCHEMBL24710249 0.84 CDK6 (0.69) DYRK2CDK6CCND1ALKCDK4
SCHEMBL24710258 0.84 CCND1 (0.70) DYRK2CDK6CCND1CDK4
SCHEMBL29684221 0.82 CDK6 (0.59) CDK6CCND1CDK4CCNA2CCND3
SCHEMBL24483256 0.82 CDK6 (0.59) CDK6CCND1CDK4CCNA2CCND3
SCHEMBL24710588 0.82 CCND1 (0.71) CDK6CCND1CDK4

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