SCHEMBL5814593

SCHEMBL5814593

CN1CCN(c2nc(-c3ccc(F)cc3)c(-c3ccnc(NC4CCCCC4)n3)s2)CC1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 4/20 0.53
HRH4 Q9H3N8 1/20 0.52
EGFR P00533 6/20 0.51
MAPK8 P45983 1/20 0.51
MAPK9 P45984 1/20 0.51
IKBKB O14920 1/20 0.47
CCNT1 O60563 1/20 0.47
CDK1 P06493 1/20 0.47
CDK4 P11802 1/20 0.47
CCNB1 P14635 1/20 0.47
CCNA2 P20248 1/20 0.47
CCND1 P24385 1/20 0.47
CDK2 P24941 1/20 0.47
CCND3 P30281 1/20 0.47
CDK7 P50613 1/20 0.47
CDK9 P50750 1/20 0.47
CCNH P51946 1/20 0.47
CDK6 Q00534 1/20 0.47

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
SCHEMBL5811823 0.99 KCNH2 (0.54) KCNH2HRH4EGFRMAPK8MAPK9
SCHEMBL5814477 0.95 KCNH2 (0.55) KCNH2EGFRIKBKB
SCHEMBL5813743 0.93 KCNH2 (0.61) KCNH2EGFRMAPK8MAPK9CDK4
SCHEMBL5818865 0.93 KCNH2 (0.61) KCNH2EGFRMAPK8MAPK9CDK4
SCHEMBL5818551 0.91 KCNH2 (0.53) KCNH2EGFR
SCHEMBL5815016 0.90 KCNH2 (0.54) KCNH2EGFR
SCHEMBL5815392 0.90 BRAF (0.49) KCNH2HRH4EGFRMAPK8MAPK9
SCHEMBL5818777 0.89 KMT2A (0.60) KCNH2HRH4EGFRIKBKBCCNT1
SCHEMBL5819579 0.89 KCNH2 (0.67) KCNH2EGFRMAPK8MAPK9
SCHEMBL5814577 0.89 BRAF (0.50) KCNH2HRH4EGFRMAPK8MAPK9

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-2006137658-A1 NEW SUBSTITUTED 1,3-THIAZOLE DERIVATIVES OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF HAVING IMMUNOSUPPRESSION AND INFLAMMATION INHIBITORY ACITIVITY, INTERMEDIATE COMPOUNDS OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF, A PROCESS FOR THE PREPARATION THEREOF, AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME DONGBU HITEK CO., LTD. (KR) 2006-12-28 WO claimed
WO-2006137658-A1 NEW SUBSTITUTED 1,3-THIAZOLE DERIVATIVES OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF HAVING IMMUNOSUPPRESSION AND INFLAMMATION INHIBITORY ACITIVITY, INTERMEDIATE COMPOUNDS OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF, A PROCESS FOR THE PREPARATION THEREOF, AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME DONGBU HITEK CO., LTD. (KR) 2006-12-28 WO disclosed