SCHEMBL22650400

SCHEMBL22650400

Cc1nc2c(Cl)nc(Cl)cc2n1C1CCCC1O

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 1/20 0.39
CDK9 P50750 1/20 0.39
JAK2 O60674 2/20 0.36
JAK1 P23458 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.32
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
GFER P55789 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
TYK2 P29597 1/20 0.31
JAK3 P52333 1/20 0.31
CHRNB4 P30926 1/20 0.30
CHRNA3 P32297 1/20 0.30
CCND1 P24385 1/20 0.30
CCNE1 P24864 1/20 0.30
CDK2 P24941 1/20 0.30
CDK6 Q00534 1/20 0.30

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
SCHEMBL29491148 1.00 CCNT1 (0.39) CCNT1CDK9JAK2JAK1L3MBTL1
SCHEMBL22650393 0.85 CCNT1 (0.36) CCNT1CDK9JAK2JAK1KDM4E
SCHEMBL29491154 0.85 CCNT1 (0.36) CCNT1CDK9JAK2JAK1KDM4E
SCHEMBL22650391 0.70 JAK2 (0.32) JAK2JAK1
SCHEMBL24401874 0.69 KDM4E (0.39) KDM4EALDH1A1MAPT
SCHEMBL22650399 0.67 CDK4 (0.33) JAK2JAK1ALDH1A1CCND1CDK2
SCHEMBL22650745 0.64 DCTPP1 (0.35)
SCHEMBL29491153 0.64 DCTPP1 (0.35)
SCHEMBL24401870 0.62 TRPV1 (0.33) ALDH1A1MAPTCHRNB4CHRNA3
SCHEMBL7607284 0.61 CCNT1 (0.50) CCNT1CDK9JAK2JAK1KDM4E

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
WO-2020224568-A1 CDK INHIBITORS QILU REGOR THERAPEUTICS INC. (CN) 2020-11-12 WO disclosed